小分子和化合物库
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                        花青素CAS号: 13306-05-3分子式: C15H11O6+ 分子量: 287.24IUPAC Name: 2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triolSMILES: C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O)OInChIKey: VEVZSMAEJFVWIL-UHFFFAOYSA-OInChI: 1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)/p+1
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                        地昔帕明-2,4,6,8-d4盐酸盐CAS号: 61361-34-0分子式: C18H19D4ClN2 分子量: 306.87IUPAC Name: N-methyl-3-(1,3,8,10-tetradeuterio-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine;hydrochlorideSMILES: CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C31.ClInChIKey: XAEWZDYWZHIUCT-TUJKZWLVSA-NInChI: 1S/C18H22N2.ClH/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20;/h2-5,7-10,19H,6,11-14H2,1H3;1H/i2D,3D,9D,10D;
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